Cas no 35960-41-9 (Cyclohexanecarbonitrile,2-acetyl-, (1R,2S)-rel-)
35960-41-9 structure
Product Name:Cyclohexanecarbonitrile,2-acetyl-, (1R,2S)-rel-
CAS No:35960-41-9
MF:C9H13NO
MW:151.205622434616
CID:295995
Update Time:2024-01-27
Cyclohexanecarbonitrile,2-acetyl-, (1R,2S)-rel- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarbonitrile,2-acetyl-, (1R,2S)-rel-
- Cyclohexanecarbonitrile,2-acetyl-, cis- (9CI)
- Cyclohexanecarbonitrile, 2-acetyl-, cis- (9CI)
-
- Inchi： 1S/C9H13NO/c1-7(11)9-5-3-2-4-8(9)6-10/h8-9H,2-5H2,1H3/t8-,9+/m0/s1
- InChI Key： QVMHLNLXUZTOKT-DTWKUNHWSA-N
- SMILES： [C@@H]1(C#N)CCCC[C@@H]1C(C)=O
Computed Properties
- Exact Mass: 151.1
- Monoisotopic Mass: 151.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.9A^2
Cyclohexanecarbonitrile,2-acetyl-, (1R,2S)-rel- Related Literature
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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